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25 changes: 25 additions & 0 deletions CITATION.cff
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cff-version: 1.2.0
message: Please cite the following works when using this software.
type: software
authors:
- family-names: Goodman
given-names: Jonathan M.
- family-names: Pletnev
given-names: Igor
- family-names: Thiessen
given-names: Paul
- family-names: Bolton
given-names: Evan
- family-names: Heller
given-names: Stephen R.
doi: 10.1186/S13321-021-00517-Z
identifiers:
- type: doi
value: 10.1186/S13321-021-00517-Z
- type: other
value: urn:issn:1758-2946
- type: other
value: pmcid:8147039
keywords:
- International Chemical Identifier
title: 'InChI version 1.06: now more than 99.99% reliable'